7-butyl-1,3-dimethyl-8-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,3-dimethyl-xanthine Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C25H25N5O3S2/c1-4-5-14-29-21-22(27(2)25(33)28(3)23(21)32)26-24(29)34-15-20(31)30-16-10-6-8-12-18(16)35-19-13-9-7-11-17(19)30/h6-13H,4-5,14-15H2,1-3H3